SCHEMBL404330

SCHEMBL404330

Cc1cc(N)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.54
MAPT P10636 6/20 0.53
ALDH1A1 P00352 6/20 0.53
TSHR P16473 3/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 5/20 0.50
CYP3A4 P08684 4/20 0.49
RECQL P46063 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 2/20 0.46
ALOX15 P16050 1/20 0.46
MCL1 Q07820 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE7A Q13946 1/20 0.44

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
SCHEMBL772636 0.92 CD44 (0.54) CD44MAPTALDH1A1TSHRMEN1
Hydrochloric Acid SCHEMBL28465623 0.91 CD44 (0.52) CD44MAPTALDH1A1TSHRMEN1
SCHEMBL9515068 0.85 ALDH1A1 (0.52) CD44MAPTALDH1A1TSHRMEN1
SCHEMBL1193334 0.84 ALDH1A1 (0.60) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL30458055 0.84 ALDH1A1 (0.60) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL30578459 0.84 TSHR (0.59) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL348272 0.84 TSHR (0.59) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL772624 0.84 CYP1A2 (0.48) MAPTALDH1A1TSHRTDP1CYP3A4
SCHEMBL11219818 0.84 TSHR (0.59) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL5068830 0.82 PPIA (0.47) MAPTALDH1A1TSHRTDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111362867-A Mobile terminal, shell assembly, electrochromic material and preparation method thereof 宁波祢若电子科技有限公司 2020-07-03 CN claimed
JP-56169651-A None JP disclosed
CN-111362867-B Mobile terminal, shell assembly, electrochromic material and preparation method thereof 宁波祢若电子科技有限公司 2023-04-18 CN disclosed
CN-111362867-A Mobile terminal, shell assembly, electrochromic material and preparation method thereof 宁波祢若电子科技有限公司 2020-07-03 CN disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
JP-S56169651-A PREPARATION OF 4-CHLORO-6-NITRO-M-TOLUIDINE NIPPON KAYAKU CO LTD 1981-12-26 JP disclosed
US-4009994-A Process and product of optical brightening with quaternized benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1977-03-01 US disclosed
US-3940417-A Quaternised benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1976-02-24 US disclosed
US-3931215-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-06 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 (2 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CD44 825/4885MAPT 2336/4885ALDH1A1 1909/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CD44 825/4885MAPT 2336/4885ALDH1A1 1909/4885

“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.