SCHEMBL1999798

SCHEMBL1999798

Oc1ccncc1-c1cc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
MEN1 O00255 3/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
HPGD P15428 3/20 0.57
KMT2A Q03164 3/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP19A1 P11511 1/20 0.56
SLC22A12 Q96S37 1/20 0.55
RIPK1 Q13546 1/20 0.50
KDR P35968 2/20 0.49
CHEK1 O14757 1/20 0.49
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46

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
SCHEMBL1999569 0.88 CYP19A1 (0.56) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL9469068 0.81 CYP19A1 (0.56) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL2995238 0.80 RIPK1 (0.73) RIPK1DAOGSK3B
2-(2'-Hydroxyphenyl)-1H-Indole SCHEMBL6742396 0.80 KDM4E (0.68) KDM4EMEN1ALDH1A1MAPTHPGD
2-(2'-Hydroxyphenyl)-1H-Indole SCHEMBL30486077 0.80 KDM4E (0.68) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL11498132 0.79 KDM4E (0.72) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL25166926 0.77 CYP19A1 (0.77) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL7062756 0.77 SLC22A12 (0.57) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL11792887 0.76 KDM4E (0.71) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL30579770 0.76 KDM4E (0.71) KDM4EMEN1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 KDM4E 2243/4885MEN1 3970/4885ALDH1A1 1229/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT KDM4E 2232/4885MEN1 2374/4885ALDH1A1 178/4885

“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.