SCHEMBL6401516

SCHEMBL6401516

CC(C)(C)C(NC(=O)Cc1ccc(Cl)cc1)NC(=NC#N)Nc1cccc2cnsc12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.46
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6401512 1.00 P2RX7 (0.46) P2RX7S1PR1S1PR3KDM4EMEN1
SCHEMBL6405693 0.84 P2RX7 (0.54) P2RX7KDM4EALDH1A1
SCHEMBL6405690 0.84 P2RX7 (0.54) P2RX7KDM4EALDH1A1
SCHEMBL6405749 0.82 P2RX7 (0.67) P2RX7
SCHEMBL6408756 0.82 P2RX7 (0.67) P2RX7
SCHEMBL6403153 0.81 P2RX7 (0.59) P2RX7ALDH1A1
SCHEMBL6403150 0.81 P2RX7 (0.59) P2RX7ALDH1A1
SCHEMBL6401857 0.80 P2RX7 (0.70) P2RX7ALDH1A1
SCHEMBL6401859 0.80 P2RX7 (0.70) P2RX7ALDH1A1
SCHEMBL6405738 0.80 P2RX7 (0.57) P2RX7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 US claimed
US-12576083-B2 Combinational therapy of LSD1 inhibitors with P21 activators in the treatment of cancer ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2026-03-17 US disclosed
US-20240342178-A1 COMBINATIONAL THERAPY OF LSD1 INHIBITORS WITH P21 ACTIVATORS IN THE TREATMENT OF CANCER ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2024-10-17 US disclosed
US-11918580-B2 Use of a combinational therapy of LSD1 inhibitors with P21 activators in the treatment of cancer ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2024-03-05 US disclosed
US-20240034799-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS SINAI MEDICAL CENTER (US) 2024-02-01 US disclosed
US-20230279491-A1 TREATMENTS FOR A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER 2023-09-07 US disclosed
EP-2928457-B1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A ST EUROPEO DI ONCOLOGIA S R L (IT) 2020-08-12 EP disclosed
US-9944589-B2 Cycloproplyamine derivatives useful as inhibitors of histone demethylases KDM1A ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2018-04-17 US disclosed
US-20150315126-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2015-11-05 US disclosed
EP-2928457-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A Istituto Europeo di Oncologia S.r.l. (IT) 2015-10-14 EP disclosed
WO-2014086790-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2014-06-12 WO disclosed
US-20050171195-A1 P2X7 antagonists for treating neuropathic pain ABBOTT LABORATORIES 2005-08-04 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 (5 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-20050171195-A1 P2X7 antagonists for treating neuropathic pain P2RX3, P2RX7, P2RX1 P2RX7 2/4885S1PR1 513/4885S1PR3 509/4885
US-20150315126-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A KDM1A, KDM1B, KDM2A P2RX7 4269/4885S1PR1 1820/4885S1PR3 2475/4885
US-11918580-B2 Use of a combinational therapy of LSD1 inhibitors with P21 activators in the treatment of cancer CDK6, KDM1B, KDM6B P2RX7 4348/4885S1PR1 1824/4885S1PR3 2448/4885
US-12576083-B2 Combinational therapy of LSD1 inhibitors with P21 activators in the treatment of cancer CDK3, CDKN1A, CDKL3 P2RX7 4279/4885S1PR1 2884/4885S1PR3 2290/4885
US-20240342178-A1 COMBINATIONAL THERAPY OF LSD1 INHIBITORS WITH P21 ACTIVATORS IN THE TREATMENT OF CANCER KDM1B, DOT1L, EZH2 P2RX7 4403/4885S1PR1 1885/4885S1PR3 2460/4885

“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.