SCHEMBL3397181

SCHEMBL3397181

O=C1N=C(N2CCCCN2)S/C1=C\c1ccc(F)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
GRIN1 Q05586 2/20 0.44
GRIN2B Q13224 2/20 0.44
SENP1 Q9P0U3 1/20 0.43
AMY1A P0DUB6 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.38
CHEK1 O14757 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
PIM1 P11309 1/20 0.36
MAPK8 P45983 1/20 0.36
CSNK1A1 P48729 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29458043 1.00 NPC1 (0.45) NPC1RAB9AGRIN1GRIN2BSENP1
SCHEMBL3435915 1.00 NPC1 (0.45) NPC1RAB9AGRIN1GRIN2BSENP1
SCHEMBL3397185 1.00 NPC1 (0.45) NPC1RAB9AGRIN1GRIN2BSENP1
SCHEMBL3427572 0.97 GRIN1 (0.45) NPC1RAB9AGRIN1GRIN2BSENP1
SCHEMBL4339151 0.97 GRIN1 (0.45) NPC1RAB9AGRIN1GRIN2BSENP1
SCHEMBL3427709 0.92 NPC1 (0.45) NPC1RAB9AGRIN1GRIN2BSENP1
SCHEMBL3406007 0.92 NPC1 (0.45) NPC1RAB9AGRIN1GRIN2BSENP1
SCHEMBL3402815 0.88 AMY1A (0.44) NPC1RAB9AGRIN1GRIN2BSENP1
SCHEMBL4350999 0.88 AMY1A (0.44) NPC1RAB9AGRIN1GRIN2BSENP1
SCHEMBL3426908 0.88 GRIN1 (0.32) NPC1RAB9AGRIN1GRIN2BSENP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240197728-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING REFRACTORY EPILEPSY INST NAT SANTE RECH MED (FR) 2024-06-20 US disclosed
WO-2022219021-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING REFRACTORY EPILEPSY INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2022-10-20 WO disclosed
US-10702537-B2 Devices and methods of treating methamphetamine addiction and medical and behavioral consequences of methamphetamine use and of HIV infection BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2020-07-07 US disclosed
US-10561668-B1 Devices and methods of treating methamphetamine addiction and medical and behavioral consequences of methamphetamine use and of HIV infection BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY (US) 2020-02-18 US disclosed
US-20190224211-A1 DEVICES AND METHODS OF TREATING METHAMPHETAMINE ADDICTION AND MEDICAL AND BEHAVIORAL CONSEQUENCES OF METHAMPHETAMINE USE AND OF HIV INFECTION BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2019-07-25 US disclosed
US-10022383-B2 Devices and methods of treating methamphetamine addiction and medical and behavioral consequences of methamphetamine use and of HIV infection BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2018-07-17 US disclosed
WO-2017133517-A1 PHOSPHAMIDE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND USES THEREOF 四川海思科制药有限公司 2017-08-10 WO disclosed
US-20160367565-A1 DEVICES AND METHODS OF TREATING METHAMPHETAMINE ADDICTION AND MEDICAL AND BEHAVIORAL CONSEQUENCES OF METHAMPHETAMINE USE AND OF HIV INFECTION BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2016-12-22 US disclosed
EP-2250167-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS Chlorion Pharma, Inc. (CA) 2010-11-17 EP disclosed
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 US disclosed
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 US disclosed
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 US disclosed
WO-2009097695-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS CHLORION PHARMA, INC. (CA) 2009-08-13 WO disclosed
WO-2009097695-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS CHLORION PHARMA, INC. (CA) 2009-08-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS OPRL1, OPRK1, AHR NPC1 2712/4885RAB9A 4212/4885GRIN1 944/4885
US-10022383-B2 Devices and methods of treating methamphetamine addiction and medical and behavioral consequences of methamphetamine use and of HIV infection TSPO, SLC18A2, SLC18A3 NPC1 551/4885RAB9A 1919/4885GRIN1 89/4885
US-10561668-B1 Devices and methods of treating methamphetamine addiction and medical and behavioral consequences of methamphetamine use and of HIV infection TSPO, SLC18A2, SLC18A3 NPC1 551/4885RAB9A 1919/4885GRIN1 89/4885
US-20160367565-A1 DEVICES AND METHODS OF TREATING METHAMPHETAMINE ADDICTION AND MEDICAL AND BEHAVIORAL CONSEQUENCES OF METHAMPHETAMINE USE AND OF HIV INFECTION TSPO, SLC18A2, SLC18A3 NPC1 551/4885RAB9A 1919/4885GRIN1 89/4885
US-10702537-B2 Devices and methods of treating methamphetamine addiction and medical and behavioral consequences of methamphetamine use and of HIV infection TSPO, SLC18A2, SLC18A3 NPC1 551/4885RAB9A 1919/4885GRIN1 89/4885
US-20190224211-A1 DEVICES AND METHODS OF TREATING METHAMPHETAMINE ADDICTION AND MEDICAL AND BEHAVIORAL CONSEQUENCES OF METHAMPHETAMINE USE AND OF HIV INFECTION TSPO, SLC18A2, SLC18A3 NPC1 551/4885RAB9A 1919/4885GRIN1 89/4885
US-20240197728-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING REFRACTORY EPILEPSY SLC6A13, SLC6A1, CLCN2 NPC1 334/4885RAB9A 3241/4885GRIN1 554/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.