SCHEMBL6784915

SCHEMBL6784915

COC(=O)c1ccccc1NC(=O)CC(C)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.57
▸ ALDH1A1 P00352 10/20 0.55
▸ KDM4E B2RXH2 7/20 0.55
▸ HSD17B10 Q99714 4/20 0.52
▸ MAPK10 P53779 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ MAPK8 P45983 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ PRMT5 O14744 1/20 0.48
▸ WDR77 Q9BQA1 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL6781577 0.89 KMT2A (0.58) KMT2AKDM4ELMNAMEN1CASP3
SCHEMBL6784822 0.86 TDP1 (0.48) KMT2AALDH1A1KDM4EHSD17B10LMNA
SCHEMBL14349697 0.84 HCAR2 (0.64) KMT2AALDH1A1KDM4ETSHRLMNA
SCHEMBL6790188 0.83 RAB9A (0.47) KMT2AALDH1A1KDM4EHSD17B10LMNA
SCHEMBL14349698 0.82 HCAR2 (0.60) KMT2AKDM4EMEN1CASP3SENP8
SCHEMBL14349718 0.80 KDM4E (0.51) KMT2AKDM4EMEN1CASP3SENP8
SCHEMBL14349899 0.80 KDM4E (0.53) ALDH1A1KDM4EHSD17B10MAPK10TSHR
SCHEMBL17451237 0.76 UGT2B7 (0.50) KMT2AALDH1A1TSHRMAPTMEN1
SCHEMBL13232104 0.76 KMT2A (0.68) KMT2AALDH1A1KDM4EHSD17B10MAPK10
SCHEMBL14349710 0.75 HCAR2 (0.63) KMT2AKDM4EMEN1CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727250-B2 ADMINISTERING COMPOUNDS SUCH AS TRANS-3-(NAPHTH-2-YL)-BUT-2-ENOIC ACID-N-(2-CARBOXY-PHENYL)-AMIDE OR LIKE FOR THERAPY OF CONDITIONS ASSOCIATED WITH INCREASED TELOMERASE ACTIVITY, E.G. TUMOUR DISEASES BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-04-27 — — US disclosed
US-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-07-25 — — US disclosed
US-6362210-B1 ANTITUMOR, ANTICANCER AGENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-26 — — 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 (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-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation TERT, NAT1, POT1 KMT2A 490/4885ALDH1A1 102/4885KDM4E 1243/4885

“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.

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