Sugi Predict

Sugi Predict / Compounds / SCHEMBL5865353

SCHEMBL5865353

SCHEMBL5865353

Nc1cccc(C=Cc2ccc(F)cc2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 6/20 0.71
▸ DHFR P00374 1/20 0.51
▸ NFE2L2 Q16236 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ GRM5 P41594 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL5865349 1.00 GRM4 (0.71) GRM4DHFRNFE2L2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL5865456 0.98 GRM4 (0.69) GRM4DHFRNFE2L2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL5865459 0.98 GRM4 (0.69) GRM4DHFRNFE2L2ALDH1A1MEN1
SCHEMBL5864824 0.83 GRM4 (1.00) GRM4DHFRALDH1A1MEN1KMT2A
SCHEMBL5864826 0.83 GRM4 (1.00) GRM4DHFRALDH1A1MEN1KMT2A
SCHEMBL5865443 0.83 GRM4 (0.67) GRM4NFE2L2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5865447 0.83 GRM4 (0.67) GRM4NFE2L2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5864956 0.82 GRM4 (0.71) GRM4DHFRNFE2L2ALDH1A1MEN1
SCHEMBL5865322 0.82 GRM4 (0.71) GRM4DHFRNFE2L2ALDH1A1MEN1
SCHEMBL5865491 0.82 GRM4 (0.71) GRM4ALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034044-B2 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. (US) 2006-04-25 — — US disclosed
US-20060058354-A1 Conjugated aromatic compounds with a pyridine substituent ALANINE ALEXANDER 2006-03-16 — — US disclosed
US-6951875-B2 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. (US) 2005-10-04 — — US disclosed
US-20040068118-A1 Conjugated aromatic compounds with a pyridine substituent ALANINE ALEXANDER (FR) 2004-04-08 — — US disclosed
US-20030144525-A1 Conjugated aromatic compounds with a pyridine substituent HOFFMANN-LA ROCHE INC. 2003-07-31 — — US 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-20040068118-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN1, GRIN2C GRM4 20/4885DHFR 349/4885NFE2L2 1274/4885
US-20030144525-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN1, GRIN2C GRM4 20/4885DHFR 349/4885NFE2L2 1274/4885
US-20060058354-A1 Conjugated aromatic compounds with a pyridine substituent GRIN2B, GRIN3A, GRIN2C GRM4 19/4885DHFR 284/4885NFE2L2 1407/4885

“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.