SCHEMBL5126771

SCHEMBL5126771

Sc1nc(-c2ccccc2)cn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
MAPT P10636 5/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 5/20 0.43
PKM P14618 2/20 0.43
ALDH1A2 O94788 2/20 0.41
ALDH1A3 P47895 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
PTGS2 P35354 1/20 0.40
PTGS1 P23219 1/20 0.40
HPGD P15428 2/20 0.39

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
SCHEMBL10012522 0.88 ADORA1 (0.46) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL31364389 0.88 PTGS2 (0.53) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL4549458 0.84 ALDH1A3 (0.51) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL16577135 0.84 ALDH1A1 (0.39) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL82549 0.78 PTGS1 (0.62) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL5345839 0.77 MAPT (0.61) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL14007394 0.77 SMN1; SMN2 (0.48) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL3101049 0.76 RAB9A (0.46) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL11367856 0.74 ALDH1A1 (0.63) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
Bromide SCHEMBL10012418 0.73 SMN1; SMN2 (0.46) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002350-A1 PROTEIN AND LIPID THERAPEUTIC TARGETS UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) 2024-01-04 US disclosed
WO-2022108980-A1 PROTEIN AND LIPID THERAPEUTIC TARGETS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-27 WO disclosed
WO-2008085008-A1 T-CELL INHIBITING COMPOUNDS AND THEIR USE FOR THE TREATMENT OF T-CELL-MEDIATED DISEASES MOGAM BIOTECHNOLOGY RESEARCH INSTITUTE (KR) 2008-07-17 WO disclosed
EP-1888575-A2 COMPOUNDS FOR MODULATING TRPV3 FUNCTION Hydra Biosciences, Inc. (US) 2008-02-20 EP disclosed
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 US disclosed
WO-2006122156-A2 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2006-11-16 WO disclosed
US-7109329-B2 Neurologically active compounds and compounds with multiple activities NAFTCHI N ERIC 2006-09-19 US disclosed
US-20040092536-A1 Neurologically active compounds and compounds with multiple activities NAFTCHI N ERIC (US) 2004-05-13 US disclosed
US-6413962-B1 ANESTHESIA AND TEMPERATURES REDUCTION; ALPHA-ADRENOCEPTOR AGONIST; RESTORATIVE TO CENTRAL NERVOUS SYSTEM, ESPECIALLY MOTOR AND SENSORY FUNCTIONAL LOSSES FROM TRAMATIC SPINAL CORD INJURIES; ANTISPASTICS; NONSEDATIVE; SIDE EFFECT REDUCTION NAFTCHI N ERIC (US) 2002-07-02 US disclosed
US-5958933-A HAVING A GUANIDINO GROUP ALIPHATICALLY LINKED TO A XANTHINE GROUP, ADRENERGIC STIMULANTS NAFTCHI N ERIC (US) 1999-09-28 US disclosed
EP-0413751-A4 NEUROLOGICALLY ACTIVE COMPOUNDS 1992-07-22 EP disclosed
EP-0413751-A1 NEUROLOGICALLY ACTIVE COMPOUNDS NAFTCHI, N., Eric (US) 1991-02-27 EP disclosed
WO-1989010744-A1 NEUROLOGICALLY ACTIVE COMPOUNDS NAFTCHI N ERIC (US) 1989-11-16 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 (3 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-20040092536-A1 Neurologically active compounds and compounds with multiple activities ACHE, GRIN2A, GRIK2 RAB9A 135/4885MAPT 92/4885NPC1 942/4885
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES ADRB2, ADRB1, CHRNA7 RAB9A 1141/4885MAPT 478/4885NPC1 372/4885
US-20240002350-A1 PROTEIN AND LIPID THERAPEUTIC TARGETS PEBP1, ALOX15, ALOX15B RAB9A 2624/4885MAPT 3258/4885NPC1 1408/4885

“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.