SCHEMBL3272602

SCHEMBL3272602

COc1ccc(C#N)c(I)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
IMPDH2 P12268 1/20 0.49
IMPDH1 P20839 1/20 0.49
USP2 O75604 1/20 0.49
AR P10275 9/20 0.43
PGR P06401 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 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
SCHEMBL7366475 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EIMPDH2IMPDH1USP2
SCHEMBL4077294 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EIMPDH2IMPDH1USP2
SCHEMBL24495415 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EIMPDH2IMPDH1USP2
SCHEMBL8996008 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EIMPDH2IMPDH1USP2
SCHEMBL28905705 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EIMPDH2IMPDH1USP2
SCHEMBL6954237 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EIMPDH2IMPDH1USP2
SCHEMBL3027438 0.73 ALDH1A1 (0.61) ALDH1A1KDM4EIMPDH2IMPDH1USP2
SCHEMBL3979962 0.73 ALDH1A1 (0.61) ALDH1A1KDM4EIMPDH2IMPDH1USP2
SCHEMBL20200257 0.73 POLB (0.49) ALDH1A1KDM4EIMPDH2IMPDH1USP2
SCHEMBL1267795 0.73 SMN1; SMN2 (0.59) ALDH1A1KDM4EIMPDH2IMPDH1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100217027-A1 PROCESS FOR PRODUCTION PHENOL DERIVATIVES SUBSTITUTED WITH IODINE AT ORTHO POSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-08-26 US claimed
EP-2199271-A1 PROCESS FOR PRODUCTION OF PHENOL DERIVATIVES SUBSTITUTED WITH IODINE AT ORTHO POSITION Mitsubishi Gas Chemical Company, Inc. (JP) 2010-06-23 EP claimed
US-20100217027-A1 PROCESS FOR PRODUCTION PHENOL DERIVATIVES SUBSTITUTED WITH IODINE AT ORTHO POSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-08-26 US disclosed
EP-2199271-A1 PROCESS FOR PRODUCTION OF PHENOL DERIVATIVES SUBSTITUTED WITH IODINE AT ORTHO POSITION Mitsubishi Gas Chemical Company, Inc. (JP) 2010-06-23 EP disclosed
JP-2009126784-A METHOD FOR PRODUCING 2-IODO-3,4-DIMETHOXYBENZONITRILE MITSUBISHI GAS CHEM CO INC 2009-06-11 JP disclosed
US-20070152569-A1 Novel benzo[b]furan derivatives and their use WELL-BEING BIOCHEMICAL CORP. 2007-07-05 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-20070152569-A1 Novel benzo[b]furan derivatives and their use JUND, FOSB, BRD9 ALDH1A1 729/4885KDM4E 1861/4885IMPDH2 1922/4885
US-20100217027-A1 PROCESS FOR PRODUCTION PHENOL DERIVATIVES SUBSTITUTED WITH IODINE AT ORTHO POSITION TPO, TH, HPD ALDH1A1 1651/4885KDM4E 1823/4885IMPDH2 160/4885

“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.