SCHEMBL20051094

SCHEMBL20051094

CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.45
TP53 P04637 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 5/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RORC P51449 6/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL30739668 1.00 VCAM1 (0.45) VCAM1TP53HTTMAPTLMNA
SCHEMBL20051589 0.88 VCAM1 (0.44) VCAM1TP53HTTMAPTLMNA
SCHEMBL30739795 0.88 VCAM1 (0.44) VCAM1TP53HTTMAPTLMNA
SCHEMBL20050862 0.88 VCAM1 (0.41) VCAM1TP53HTTMAPTLMNA
SCHEMBL30739937 0.87 VCAM1 (0.43) VCAM1TP53HTTMAPTLMNA
SCHEMBL20051591 0.87 VCAM1 (0.43) VCAM1TP53HTTMAPTLMNA
SCHEMBL18147362 0.87 VCAM1 (0.48) VCAM1TP53HTTMAPTLMNA
SCHEMBL20051592 0.87 CTSB (0.46) VCAM1TP53HTTMAPTLMNA
SCHEMBL30739664 0.87 CTSB (0.46) VCAM1TP53HTTMAPTLMNA
SCHEMBL29241449 0.84 VCAM1 (0.41) VCAM1TP53HTTMAPTLMNA

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
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed
EP-3964495-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2022-03-09 EP disclosed
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-06-03 US disclosed
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2021-05-04 US disclosed
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-06 US disclosed
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-23 US disclosed
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2019-04-16 US disclosed
US-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-12 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-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD VCAM1 4347/4885TP53 4811/4885HTT 4249/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD VCAM1 4402/4885TP53 4775/4885HTT 4074/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD VCAM1 4402/4885TP53 4775/4885HTT 4074/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD VCAM1 4361/4885TP53 4761/4885HTT 4145/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD VCAM1 4261/4885TP53 4737/4885HTT 4355/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD VCAM1 4347/4885TP53 4811/4885HTT 4249/4885

“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.