SCHEMBL1649522

SCHEMBL1649522

C=CCNC(=O)Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.59
TP53 P04637 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TSHR P16473 1/20 0.59
EPHX2 P34913 1/20 0.59
CDK9 P50750 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
TGM2 P21980 1/20 0.55
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HTT P42858 2/20 0.51
MAOB P27338 2/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.51

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
Ammonia Solution, Strong SCHEMBL11319855 0.98 EPHX1 (0.57) EPHX1TP53SMN1; SMN2TSHREPHX2
SCHEMBL9461426 0.84 POLB (0.49) EPHX1TP53SMN1; SMN2TSHREPHX2
SCHEMBL11147820 0.83 TGM2 (0.46) EPHX1TP53SMN1; SMN2TSHREPHX2
SCHEMBL10936926 0.83 EPHX1 (0.48) EPHX1TP53SMN1; SMN2TSHREPHX2
SCHEMBL11152964 0.83 BAZ1A (0.52) EPHX2ALDH1A1LMNAHTTMEN1
SCHEMBL8937595 0.83 MAOA (0.53) EPHX1TP53TSHRALDH1A1KDM4E
SCHEMBL10754360 0.83 HDAC3 (0.59) EPHX1TP53SMN1; SMN2TSHREPHX2
SCHEMBL10192071 0.82 NPC1 (0.61) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL11078164 0.82 EPHX1 (0.59) EPHX1TP53SMN1; SMN2TSHREPHX2
SCHEMBL7016073 0.82 GAA (0.42) EPHX1TP53SMN1; SMN2TSHREPHX2

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115627002-A Formula, preparation method and application of epoxy prepreg 台州市黄岩区武汉理工高性能复合材料技术研究院 2023-01-20 CN claimed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US claimed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US claimed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US claimed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 US claimed
EP-0923537-A1 PROCESS FOR THE PREPARATION OF CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1999-06-23 EP claimed
WO-1998008805-A1 PROCESS FOR THE PREPARATION OF CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1998-03-05 WO claimed
CN-118344633-A Preparation method of copper-free composite resin brake pad 浙江万赛汽车零部件股份有限公司 2024-07-16 CN disclosed
CN-115627002-A Formula, preparation method and application of epoxy prepreg 台州市黄岩区武汉理工高性能复合材料技术研究院 2023-01-20 CN disclosed
EP-3791724-A1 TREATMENT OF BREAST CANCER Medivation Prostate Therapeutics LLC (US) 2021-03-17 EP disclosed
US-20210069154-A1 Treatment of Breast Cancer MEDIVATION PROSTATE THERAPEUTICS LLC 2021-03-11 US disclosed
EP-3610731-A1 TREATMENT OF BREAST CANCER Medivation Prostate Therapeutics LLC (US) 2020-02-19 EP disclosed
US-20190262315-A1 Treatment of Breast Cancer MEDIVATION PROSTATE THERAPEUTICS, INC. 2019-08-29 US disclosed
EP-0216531-A1 Use of immersion tin and tin alloys as a bonding medium for multilayer circuits TECHNO INSTRUMENTS INVESTMENTS 1983 LTD. (IL) 1987-04-01 EP disclosed
EP-0108570-B1 DISAZO DYESTUFFS FOR CELLULOSE-CONTAINING FIBRES AND PROCESS FOR PREPARING THE DYESTUFF MITSUBISHI KASEI CORPORATION (JP) 1986-10-29 EP disclosed
EP-0121825-B1 MONOAZO DYESTUFFS FOR CELLULOSE-CONTAINING FIBERS MITSUBISHI KASEI CORPORATION (JP) 1986-09-10 EP disclosed
US-4260552-A INSECTICIDES, HERBICIDES UNIROYAL, INC. (US) 1981-04-07 US disclosed
US-4160846-A Method for controlling insects with tetrasubstituted organotin compounds UNIROYAL, INC. (US) 1979-07-10 US disclosed
US-4085268-A Disubstituted s-triazines ARMSTRONG CORK COMPANY (US) 1978-04-18 US disclosed
US-4010281-A N-(4-HALOBENZYL)-N-BRANCHED ALKYL-N'-PHENYLUREAS AND FUNGICIDAL USE THEREOF BAYER AKTIENGESELLSCHAFT (DT) 1977-03-01 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 (6 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS EPHX1 2612/4885TP53 3031/4885SMN1; SMN2 1400/4885
US-20190262315-A1 Treatment of Breast Cancer BRCA1, TP53, TUBB6 EPHX1 3823/4885TP53 2/4885SMN1; SMN2 3361/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 EPHX1 2441/4885TP53 3914/4885SMN1; SMN2 1689/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS EPHX1 2183/4885TP53 4212/4885SMN1; SMN2 1673/4885
US-20210069154-A1 Treatment of Breast Cancer BRCA1, TP53, TUBB6 EPHX1 3823/4885TP53 2/4885SMN1; SMN2 3361/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 EPHX1 2441/4885TP53 3914/4885SMN1; SMN2 1689/4885

“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.