SCHEMBL129446

SCHEMBL129446

CCc1cccc(N(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.51
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL30966769 1.00 SIGMAR1 (0.51) SIGMAR1ALDH1A1TSHRHDAC1HDAC6
Hydrochloric Acid SCHEMBL2867283 0.98 SIGMAR1 (0.53) SIGMAR1ALDH1A1TSHRHDAC1HDAC6
SCHEMBL10908956 0.89 SIGMAR1 (0.55) SIGMAR1
SCHEMBL6739011 0.88 FYN (0.49) SIGMAR1ALDH1A1TSHR
SCHEMBL17485887 0.86 SIGMAR1 (0.51) SIGMAR1TSHR
SCHEMBL25922215 0.84 SIGMAR1 (0.50) SIGMAR1TSHR
SCHEMBL11861528 0.84 HDAC1 (0.60) ALDH1A1TSHRHDAC1HDAC6KMT2A
SCHEMBL10130332 0.83 SIGMAR1 (0.53) SIGMAR1TSHRKMT2A
SCHEMBL18499750 0.83 SIGMAR1 (0.53) SIGMAR1TSHR
SCHEMBL169805 0.83 ALDH1A1 (0.47) SIGMAR1ALDH1A1TSHRHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184520-A Biphenyl amine compound, preparation method thereof and application thereof in flow battery 中国科学院大连化学物理研究所 2024-06-14 CN claimed
CN-118184520-A Biphenyl amine compound, preparation method thereof and application thereof in flow battery 中国科学院大连化学物理研究所 2024-06-14 CN disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-20230242535-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2023-08-03 US disclosed
US-20210309647-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-10-07 US disclosed
US-11116772-B2 Medical methods utilising high purity diaminophenothiazinium compounds WISTA LABORATORIES LTD. (SG) 2021-09-14 US disclosed
US-11116772-B2 Medical methods utilising high purity diaminophenothiazinium compounds WISTA LABORATORIES LTD. (SG) 2021-09-14 US disclosed
US-11034680-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-06-15 US disclosed
US-20210052514-A1 IMMUNOMODULATOR COMPOUNDS CHEMOCENTRYX, INC. 2021-02-25 US disclosed
EP-0145400-A2 Photoconductive devices containing novel squaraine compounds XEROX CORPORATION (US) 1985-06-19 EP disclosed
US-4524219-A REACTING AN ALKYL AQUARATE WITH AN N,N-DIALKYLANILINE IN THE PRESENCE OF AN ALKANOL XEROX CORPORATION (US) 1985-06-18 US disclosed
US-4524220-A REACTING SQUARIC ACID AND AN AROMATIC DIAMINE; PHOTOSTABILITY XEROX CORPORATION (US) 1985-06-18 US disclosed
EP-0144206-A2 Process for synthesising squaraine compositions XEROX CORPORATION (US) 1985-06-12 EP disclosed
US-4523035-A BLUE AND GREEN PIGMENTS XEROX CORPORATION (US) 1985-06-11 US disclosed
US-4486520-A Photoconductive devices containing novel squaraine compositions XEROX CORPORATION (US) 1984-12-04 US disclosed
US-4459186-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1984-07-10 US disclosed
EP-0042357-B1 AZO DYES, THEIR PREPARATION AND USE CIBA-GEIGY AG (CH) 1984-06-06 EP disclosed
EP-0042357-A2 Azo dyes, their preparation and use CIBA-GEIGY AG (CH) 1981-12-23 EP disclosed
US-4251629-A COLORIMETRY, USING 4-AMINOANTIPYRENE, N-SUBSTITUTED ANILINE, ACTIVATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1981-02-17 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-11116772-B2 Medical methods utilising high purity diaminophenothiazinium compounds MGMT, MAPT, TST SIGMAR1 3875/4885ALDH1A1 3409/4885TSHR 1274/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB SIGMAR1 4698/4885ALDH1A1 550/4885TSHR 4738/4885
US-20230242535-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, TMPRSS4 SIGMAR1 683/4885ALDH1A1 2611/4885TSHR 128/4885
US-20210052514-A1 IMMUNOMODULATOR COMPOUNDS IL2, IL2RA, C3AR1 SIGMAR1 1100/4885ALDH1A1 1113/4885TSHR 320/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB SIGMAR1 4698/4885ALDH1A1 550/4885TSHR 4738/4885
US-20210309647-A1 Apoptosis Inhibitors BAX, SDHA, SDHB SIGMAR1 4698/4885ALDH1A1 550/4885TSHR 4738/4885

“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.