SCHEMBL6089702

SCHEMBL6089702

CCC(O)c1c(N)cccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
MAPK1 P28482 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.33
PGR P06401 1/20 0.33
MAP2K1 Q02750 1/20 0.32
KDM1A O60341 1/20 0.32
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
MAOA P21397 1/20 0.31
HTR2B P41595 1/20 0.31
HSD11B1 P28845 2/20 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
SCHEMBL84268 0.81 CYP3A4 (0.41) TSHRCYP1A2CYP3A4MAPK1ADRB2
SCHEMBL5801533 0.78 CYP1A2 (0.36) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27784531 0.77 CYP3A4 (0.43) TSHRCYP1A2CYP3A4MAPK1ADRB2
SCHEMBL27999832 0.75 CD44 (0.43) TSHRCYP3A4LMNAALDH1A1HPGD
SCHEMBL11469208 0.75 LMNA (0.41) TSHRCYP1A2CYP3A4ADRB1ADRB3
SCHEMBL5118561 0.74 ALDH1A1 (0.44) TSHRCYP3A4ADRB2ADRB1LMNA
SCHEMBL26599490 0.70 ADRA2A (0.41) TSHRADRB1ADRB3LMNAL3MBTL1
SCHEMBL21899485 0.69 CYP3A4 (0.50) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1981235 0.68 TSHR (0.47) TSHRCYP1A2MAPK1CYP2C9CYP2C19
SCHEMBL2522991 0.68 SMN1; SMN2 (0.42) TSHRLMNAL3MBTL1ALDH1A1TDP1

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 TSHR 4510/4885CYP1A2 11/4885CYP3A4 17/4885

“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.