SCHEMBL2536552

SCHEMBL2536552

CCOc1cc[c]cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.38
TRPV4 Q9HBA0 1/20 0.36
XDH P47989 1/20 0.36
HSD17B10 Q99714 5/20 0.35
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 3/20 0.35
ALOX15 P16050 2/20 0.35
BRCA1 P38398 2/20 0.35
HBB P68871 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL17046313 0.86 ALDH1A1 (0.41) ARXDHALDH1A1KMT2AMEN1
SCHEMBL6553336 0.85 AR (0.38) ARTRPV4XDHHSD17B10ALDH1A1
SCHEMBL21268419 0.84 ALDH1A1 (0.47) ARXDHALDH1A1HPGDCYP1A2
SCHEMBL21268212 0.81 AR (0.41) ARALDH1A1HPGD
SCHEMBL27712841 0.81 XDH (0.44) XDH
SCHEMBL230031 0.79 ALDH1A1 (0.48) ARALDH1A1KDM4EPOLBUSP2
SCHEMBL127280 0.78 ALDH1A1 (0.39) HSD17B10ALDH1A1KMT2AMEN1MAPT
SCHEMBL21268241 0.77 KDM4E (0.41) ARHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL1231501 0.76 ALDH1A1 (0.38) HSD17B10ALDH1A1KMT2AMEN1MAPT
SCHEMBL9035559 0.76 MAOB (0.50) XDHMAPTMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11970486-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-04-30 US disclosed
US-20240124435-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-04-18 US disclosed
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed
EP-3700934-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2020-09-02 EP disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
EP-3529245-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2019-08-28 EP disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-4354975-A Processes for making phosphorus derivatives of aminothiomethylcarbamates THE UPJOHN COMPANY (US) 1982-10-19 US disclosed
US-4336207-A Phosphorus derivatives of aminothiocarbamoyl halides THE UPJOHN COMPANY (US) 1982-06-22 US disclosed
US-4308217-A Disulfides of amides of phosphoric acid THE UPJOHN COMPANY (US) 1981-12-29 US disclosed
US-4279840-A Processes for making phosphorus containing aminothiocarbamoyl halides THE UPJOHN COMPANY (US) 1981-07-21 US disclosed
US-4279839-A Processes for making phosphorus containing aminothiocarbamoyl halides THE UPJOHN COMPANY (US) 1981-07-21 US disclosed
US-4256898-A INTERMEDIATES FOR MAKING (ALPHAS, 5S)-ALPHA-AMINO-3-CHLORO-2-ISOXAZOLINE-5-ACETIC ACID (AT-125) THE UPJOHN COMPANY (US) 1981-03-17 US disclosed
US-4234521-A Phosphorus derivatives of aminothiocarbamoyl halides THE UPJOHN COMPANY (US) 1980-11-18 US disclosed
US-4208409-A N-[(phosphinyl or phosphinothioyl)amino]thio-methylcarbamates and pesticidal methods THE UPJOHN COMPANY (US) 1980-06-17 US disclosed
US-4201733-A PESTICIDES THE UPJOHN COMPANY (US) 1980-05-06 US disclosed
US-4081536-A N-[(phosphinyl) amino]thio- and N-[(phosphinothioyl)amino]-thio-methylcarbamates and methods for controlling insects THE UPJOHN COMPANY (US) 1978-03-28 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 (4 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-20240124435-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 AR 4802/4885TRPV4 464/4885XDH 270/4885
US-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 AR 4802/4885TRPV4 464/4885XDH 270/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 AR 4802/4885TRPV4 464/4885XDH 270/4885
US-11970486-B2 Compounds and uses thereof NLN, ACHE, CLN6 AR 4802/4885TRPV4 464/4885XDH 270/4885

“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.