SCHEMBL5510180

SCHEMBL5510180

Cc1c(Cl)ccc([N+](=O)[O-])c1N

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.52
ALDH1A1 P00352 3/20 0.47
TSHR P16473 6/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.44
TTR P02766 1/20 0.44
ALB P02768 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
VCAM1 P19320 4/20 0.43
CYP3A4 P08684 3/20 0.43
RECQL P46063 1/20 0.43
PDE7A Q13946 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41

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
SCHEMBL31569017 1.00 TDP1 (0.52) TDP1ALDH1A1TSHRMAPK1MEN1
SCHEMBL899707 0.85 TDP1 (0.52) TDP1ALDH1A1TSHRMAPK1MEN1
SCHEMBL4864448 0.82 TDP1 (0.57) TDP1ALDH1A1TSHRMAPK1VCAM1
SCHEMBL5635430 0.80 TDP1 (0.67) TDP1ALDH1A1TSHRMAPK1MEN1
SCHEMBL2910425 0.80 TDP1 (0.67) TDP1ALDH1A1TSHRMAPK1VCAM1
SCHEMBL2056814 0.80 TSHR (0.60) TDP1ALDH1A1TSHRMAPK1MEN1
SCHEMBL2656793 0.80 TSHR (0.55) TDP1ALDH1A1TSHRMAPK1MEN1
SCHEMBL11779921 0.78 TDP1 (0.53) TDP1ALDH1A1TSHRMAPK1MEN1
SCHEMBL29099822 0.78 TDP1 (0.53) TDP1ALDH1A1TSHRMAPK1VCAM1
SCHEMBL31257796 0.78 TDP1 (0.53) TDP1ALDH1A1TSHRMAPK1VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0061110-B1 NITRO-ANILINES CELAMERCK GmbH & Co. KG (DE) 1984-08-08 EP claimed
US-12522583-B2 Benzimidazole derivatives and aza-benzimidazole derivatives as Janus kinase 2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-01-13 US disclosed
US-20230183204-A9 BENZIMIDAZOLE DERIVATIVES AND AZA-BENZIMIDAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-15 US disclosed
US-20230183204-A9 BENZIMIDAZOLE DERIVATIVES AND AZA-BENZIMIDAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-15 US disclosed
US-20220127246-A1 BENZIMIDAZOLE DERIVATIVES AND AZA-BENZIMIDAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-28 US disclosed
EP-3876930-A1 BENZIMIDAZOLE DERIVATIVES AND AZA-BENZIMIDAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-15 EP disclosed
EP-1846409-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES Pfizer Limited (GB) 2007-10-24 EP disclosed
EP-1089982-B1 METHODS OF INHIBITING CORROSION USING ISOMERS OF CHLORO-METHYLBENZOTRIAZOLE BETZDEARBORN INC (US) 2006-08-30 EP disclosed
WO-2006056848-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES PFIZER LIMITED (GB) 2006-06-01 WO disclosed
US-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives PFIZER INC. 2006-05-25 US disclosed
US-5436240-A Schizophrenia, Parkinson's disease, depression or hypotensive agents using tricyclic amines THE UPJOHN COMPANY (US) 1995-07-25 US disclosed
EP-0480939-B1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY UPJOHN CO (US) 1995-01-25 EP disclosed
US-5273975-A Heterocyclic amines having central nervous system activity THE UPJOHN COMPANY (US) 1993-12-28 US disclosed
EP-0480939-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. UPJOHN CO (US) 1992-04-22 EP disclosed
WO-1990015058-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY THE UPJOHN COMPANY (US) 1990-12-13 WO disclosed
EP-0034945-B1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-08-07 EP disclosed
US-4496390-A WEED-CONTRTOLLING HERBICIDES MAY & BAKER LIMITED (GB) 1985-01-29 US disclosed
EP-0061110-B1 NITRO-ANILINES CELAMERCK GmbH & Co. KG (DE) 1984-08-08 EP disclosed
EP-0061110-A1 Nitro-anilines CELAMERCK GmbH & Co. KG (DE) 1982-09-29 EP disclosed
EP-0034945-A2 N-phenylpyrazole derivatives MAY & BAKER LIMITED (GB) 1981-09-02 EP 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 (3 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-20220127246-A1 BENZIMIDAZOLE DERIVATIVES AND AZA-BENZIMIDAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 TDP1 1578/4885ALDH1A1 1439/4885TSHR 1652/4885
US-20230183204-A9 BENZIMIDAZOLE DERIVATIVES AND AZA-BENZIMIDAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 TDP1 1578/4885ALDH1A1 1439/4885TSHR 1652/4885
US-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives DPYD, PAH, DHPS TDP1 1015/4885ALDH1A1 275/4885TSHR 4051/4885

“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.