SCHEMBL6492640

SCHEMBL6492640

NN1CCSCc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM1A O60341 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
CDK4 P11802 1/20 0.33
ALOX15 P16050 1/20 0.33
CCND1 P24385 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
ADRA2C P18825 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
BCHE P06276 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
LGMN Q99538 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6501844 0.73 ALDH1A1 (0.37) ACHEALDH1A1KDM1AMEN1USP2
SCHEMBL112247 0.73 MEN1 (0.54) ALDH1A1MEN1USP2CDK4ALOX15
SCHEMBL29625280 0.73 MEN1 (0.54) ALDH1A1MEN1USP2CDK4ALOX15
Hydrochloric Acid SCHEMBL1163794 0.71 MEN1 (0.52) ALDH1A1MEN1USP2CDK4ALOX15
SCHEMBL11437404 0.70 ALDH1A1 (0.42) ALDH1A1KDM1AMEN1USP2CDK4
SCHEMBL483231 0.69 SMN1; SMN2 (0.53) ALDH1A1MEN1USP2CDK4ALOX15
SCHEMBL29612036 0.69 SMN1; SMN2 (0.53) ALDH1A1MEN1USP2CDK4ALOX15
Hydrochloric Acid SCHEMBL5428326 0.68 SMN1; SMN2 (0.52) ALDH1A1MEN1USP2CDK4ALOX15
SCHEMBL3315465 0.68 NOTUM (0.51) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL1447375 0.68 TSHR (0.48) ALDH1A1MEN1USP2CDK4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 US disclosed
US-6699852-B2 ANTISEROTONIN AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-02 US disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 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 (2 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 ACHE 656/4885ALDH1A1 2258/4885KDM1A 1593/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 ACHE 656/4885ALDH1A1 2258/4885KDM1A 1593/4885

“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.