SCHEMBL1917751

SCHEMBL1917751

CCCc1nc2cc(C(=O)NCC(OC)OC)cc(C)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
HPGD P15428 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
GLA P06280 1/20 0.35
THRB P10828 1/20 0.35
F9 P00740 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL1919439 0.87 ALDH1A1 (0.36) ALDH1A1HPGDSMN1; SMN2F9
SCHEMBL1917746 0.83 MEN1 (0.40) ALDH1A1KDM4EGAAMAPTPOLB
SCHEMBL1918064 0.82 F9 (0.36) KDM4EMAPTRECQLSMN1; SMN2KMT2A
SCHEMBL1918976 0.81 MAPT (0.40) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL158113 0.77 APEX1 (0.41) ALDH1A1KDM4EPOLBRECQLMEN1
SCHEMBL3707021 0.77 CA12 (0.42) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL4437776 0.75 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBRECQLMEN1
SCHEMBL5027701 0.69 ADORA1 (0.35) KDM4EMAPTPOLBKMT2A
SCHEMBL1919435 0.69 ACACB (0.40) ALDH1A1F9
SCHEMBL13907870 0.68 KMT2A (0.40) ALDH1A1KDM4EMAPTPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081213-B1 TRICYCLIC COMPOUND KYOWA KIRIN CO LTD (JP) 2020-04-01 EP disclosed
US-9475805-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-10-25 US disclosed
EP-3081213-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2016-10-19 EP disclosed
US-20150291587-A1 TRICYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-15 US disclosed
US-20130267711-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2013-10-10 US disclosed
US-8486980-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-07-16 US disclosed
US-20110201640-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-18 US disclosed
EP-2327690-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 EP 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 (3 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-20150291587-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD ALDH1A1 1801/4885KDM4E 2084/4885GAA 2399/4885
US-20130267711-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD ALDH1A1 1801/4885KDM4E 2084/4885GAA 2399/4885
US-20110201640-A1 TRICYCLIC COMPOUND PPARG, PPARA, PPARD ALDH1A1 2211/4885KDM4E 1708/4885GAA 2804/4885

“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.