SCHEMBL6089703

SCHEMBL6089703

N#Cc1cccc(N)c1CCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KDM1A O60341 7/20 0.39
TSHR P16473 3/20 0.34
MAP2K1 Q02750 1/20 0.33
POLB P06746 1/20 0.33
ESR2 Q92731 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
CTSK P43235 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAPK1 P28482 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL1375312 0.82 CYP3A4 (0.43) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6457239 0.79 CYP3A4 (0.41) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL28190550 0.76 CYP3A4 (0.44) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL7363839 0.75 CYP1A2 (0.33) CYP3A4CYP1A2CYP2C9CYP2C19MAP2K1
SCHEMBL28394725 0.75 KDM1A (0.34) KDM4EALDH1A1MAPTKDM1ATSHR
SCHEMBL4618271 0.75 TSHR (0.33) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL9843984 0.74 CYP3A4 (0.36) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL10581584 0.74 CD44 (0.45) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL10890690 0.74 TSHR (0.43) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6742592 0.74 CYP3A4 (0.43) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E

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-6998489-B2 Methods of making indazoles ALCON, INC. (CH) 2006-02-14 US disclosed
EP-1392659-A4 METHODS OF MAKING INDAZOLES ALCON INC (CH) 2004-10-20 EP disclosed
US-20040142998-A1 Methods of making indazoles ALCON, INC. (CH) 2004-07-22 US disclosed
EP-1392659-A1 METHODS OF MAKING INDAZOLES Alcon, Inc. (CH) 2004-03-03 EP disclosed
WO-2002098862-A1 METHODS OF MAKING INDAZOLES ALCON, INC. (CH) 2002-12-12 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-20040142998-A1 Methods of making indazoles NAT1, CYP3A5, ALDH3A1 CYP3A4 17/4885CYP1A2 11/4885CYP2C9 30/4885

“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.