Pyridine

Pyridine

SCHEMBL3387863

NC(=S)NCCOc1ccccc1.c1ccncc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 4/20 0.49
HPGD P15428 2/20 0.49
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
HTR1B P28222 2/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
HTR1D P28221 1/20 0.45
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MAPK1 P28482 2/20 0.43
TSHR P16473 2/20 0.43
PKM P14618 1/20 0.43
EPHX2 P34913 1/20 0.43
XBP1 P17861 1/20 0.42

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
SCHEMBL6804590 0.91 MTNR1A (0.59) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL3363396 0.77 MTNR1A (0.62) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL8915482 0.77 SMN1; SMN2 (0.62) RAB9ASMN1; SMN2HPGDL3MBTL1MAPK1
Pyridine SCHEMBL6763848 0.76 RAB9A (0.58) RAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL8768565 0.75 TAAR1 (0.56) RAB9ASMN1; SMN2NPC1DRD2DRD4
SCHEMBL1053081 0.74 MTNR1A (0.69) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL10310294 0.74 MTNR1A (0.59) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL6766219 0.74 POLB (0.72) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL8914946 0.73 BCL6 (0.66) RAB9ASMN1; SMN2NPC1HPGDL3MBTL1
SCHEMBL27771374 0.73 ALDH1A1 (0.42) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022753-A1 METHOD FOR MODIFYING THIOL GROUP TAIPEI MEDICAL UNIVERSITY (TW) 2010-01-28 US disclosed
US-6727265-B2 REVERSE TRANSCRIPTASE INHIBITORS FOR DRUG RESISTANT PATIENTS PARKER HUGHES INSTITUTE 2004-04-27 US disclosed
US-6727265-B2 REVERSE TRANSCRIPTASE INHIBITORS FOR DRUG RESISTANT PATIENTS PARKER HUGHES INSTITUTE 2004-04-27 US disclosed
US-6727265-B2 REVERSE TRANSCRIPTASE INHIBITORS FOR DRUG RESISTANT PATIENTS PARKER HUGHES INSTITUTE 2004-04-27 US disclosed
US-20030186991-A1 Phenoxyethyl-thiourea-pyridine compounds and their use for treatment of HIV-infections PARKER HUGHES INSTITUTE 2003-10-02 US disclosed
US-20030186991-A1 Phenoxyethyl-thiourea-pyridine compounds and their use for treatment of HIV-infections PARKER HUGHES INSTITUTE 2003-10-02 US disclosed
US-20030186991-A1 Phenoxyethyl-thiourea-pyridine compounds and their use for treatment of HIV-infections PARKER HUGHES INSTITUTE 2003-10-02 US disclosed
WO-2002032873-A1 PHENOXYETHYL-THIOUREA-PYRIDINE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HIV-INFECTIONS PARKER HUGHES INSTITUTE (US) 2002-04-25 WO disclosed
WO-2002032873-A1 PHENOXYETHYL-THIOUREA-PYRIDINE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HIV-INFECTIONS PARKER HUGHES INSTITUTE (US) 2002-04-25 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 (1 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-20030186991-A1 Phenoxyethyl-thiourea-pyridine compounds and their use for treatment of HIV-infections TPMT, TERT, TET1 MTNR1A 3015/4885MTNR1B 3045/4885RAB9A 3227/4885

“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.