SCHEMBL18245205

SCHEMBL18245205

CCCCCCN=C=Nc1cccc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ NAAA Q02083 1/20 0.37
▸ HTR3E A5X5Y0 2/20 0.37
▸ HTR3B O95264 2/20 0.37
▸ HTR3A P46098 2/20 0.37
▸ HTR3D Q70Z44 2/20 0.37
▸ HTR3C Q8WXA8 2/20 0.37
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ CASP3 P42574 3/20 0.36

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
SCHEMBL28207778 0.84 NAAA (0.36) NAAAKCNH2
SCHEMBL964813 0.82 NAAA (0.42) MEN1KMT2ASMN1; SMN2NAAATP53
SCHEMBL18245029 0.82 NAAA (0.42) MEN1KMT2ASMN1; SMN2NAAATP53
SCHEMBL28208342 0.81 NOS1 (0.44) SMN1; SMN2CYP3A4NAAAALDH1A1
SCHEMBL961359 0.81 NAAA (0.41) SMN1; SMN2HTTCYP3A4CYP2D6CYP2C9
SCHEMBL18245041 0.81 NAAA (0.41) SMN1; SMN2HTTCYP3A4CYP2D6CYP2C9
SCHEMBL18245615 0.79 NAAA (0.38) SMN1; SMN2HTTNAAAHTR3EHTR3B
SCHEMBL18245073 0.78 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL11305988 0.77 KIF11 (0.37) MEN1KMT2ASMN1; SMN2HTTNPSR1
SCHEMBL6275073 0.76 HTR3E (0.52) MEN1KMT2ASMN1; SMN2HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107848963-B Acid-resistant alkali-producing agent and/or radical-producing agent, and curable resin composition containing same 富士胶片和光纯药株式会社 2020-11-03 — — CN disclosed
EP-3327002-B1 ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2020-08-19 — — EP disclosed
US-10428015-B2 Acid-resistant base and/or radical generator, and curable resin composition containing said base and/or radical generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-01 — — US disclosed
US-20190002403-A1 ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-01-03 — — US disclosed
EP-3098226-B1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2018-12-12 — — EP disclosed
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2018-10-16 — — US disclosed
EP-3327002-A1 ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2018-05-30 — — EP disclosed
EP-3098226-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2016-11-30 — — EP disclosed
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 — — 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 (4 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-10428015-B2 Acid-resistant base and/or radical generator, and curable resin composition containing said base and/or radical generator REV1, RER1, CBR1 MEN1 1882/4885KMT2A 1530/4885SMN1; SMN2 1447/4885
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator BLM, HPRT1, BROX MEN1 28/4885KMT2A 2230/4885SMN1; SMN2 2993/4885
US-20190002403-A1 ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR REV1, RER1, CBR1 MEN1 1882/4885KMT2A 1530/4885SMN1; SMN2 1447/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 MEN1 975/4885KMT2A 3459/4885SMN1; SMN2 3951/4885

“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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