SCHEMBL398911

SCHEMBL398911

CCc1cc(C#N)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
CYP2A6 P11509 2/20 0.47
EGLN2 Q96KS0 1/20 0.43
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
PGR P06401 2/20 0.37
HRH4 Q9H3N8 1/20 0.36
SETDB1 Q15047 1/20 0.35

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
SCHEMBL1026069 0.86 CYP2A6 (0.48) ALDH1A1POLBMAPTCYP2A6EGLN2
SCHEMBL20526615 0.85 HRH4 (0.46) ALDH1A1POLBMAPTCYP2A6EGLN2
SCHEMBL2154388 0.83 EGLN2 (0.52) ALDH1A1POLBMAPTCYP2A6EGLN2
SCHEMBL12550188 0.83 MPO (0.41) ALDH1A1POLBMAPTCYP2A6SLC6A2
SCHEMBL11617787 0.82 PRKCI (0.46) ALDH1A1POLBMAPTCYP2A6EGLN2
SCHEMBL13824727 0.81 CYP2A6 (0.52) ALDH1A1CYP2A6EGLN2SLC6A4SLC6A3
SCHEMBL11620126 0.81 SLC6A4 (0.58) ALDH1A1POLBMAPTSLC6A2SLC6A4
SCHEMBL11624802 0.80 SLC6A2 (0.42) ALDH1A1POLBMAPTCYP2A6SLC6A2
SCHEMBL3557844 0.80 ALDH1A1 (0.39) ALDH1A1POLBMAPTSLC6A2SLC6A4
SCHEMBL18324675 0.80 ALDH1A1 (0.39) ALDH1A1POLBMAPTCYP2A6EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025228900-A1 ARYLAMIDE SUBSTITUTED INDAZOLES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-11-06 WO disclosed
WO-2025049326-A1 TRICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 BIOCRYST PHARMACEUTICALS, INC. (US) 2025-03-06 WO disclosed
CN-114105745-B Octabolmod intermediate and preparation method thereof 广东东阳光药业股份有限公司 2024-07-23 CN disclosed
CN-112745205-B Preparation method of simod intermediate 广东东阳光药业股份有限公司 2024-04-05 CN disclosed
CN-113527250-B Octabolmod intermediate and preparation method thereof 广东东阳光药业股份有限公司 2024-01-05 CN disclosed
US-20230165867-A1 IMIDAZOLIDINONE DERIVATIVES AND MEDICAL USE THEREOF KANGBAIDA (SICHUAN) BIOTECHNOLOGY CO., LTD. (CN) 2023-06-01 US disclosed
US-20230165867-A1 IMIDAZOLIDINONE DERIVATIVES AND MEDICAL USE THEREOF KANGBAIDA (SICHUAN) BIOTECHNOLOGY CO., LTD. (CN) 2023-06-01 US disclosed
EP-4137491-A1 IMIDAZOLINONE DERIVATIVE AND USE THEREOF IN MEDICINE Chengdu Baiyu Pharmaceutical Co., Ltd. (CN) 2023-02-22 EP disclosed
CN-114105745-A Siponimod intermediate and preparation method thereof 广东东阳光药业有限公司 2022-03-01 CN disclosed
CN-113527250-A Siponimod intermediate and preparation method thereof 广东东阳光药业有限公司 2021-10-22 CN disclosed
WO-1996026932-A1 2-ARYLBENZAZOLE COMPOUNDS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-09-06 WO disclosed
EP-0729457-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-04 EP disclosed
US-5532245-A TO REDUCE SMOOTH MUSCLE CONTRACTIONS; TREATMENT FOR URINARY INCONTINENCE, IRITABLE BOWEL SYNDROME AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-02 US disclosed
US-5530025-A SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-06-25 US disclosed
WO-1996015103-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-23 WO disclosed
WO-1996014300-A1 N-ARYL AND N-HETEROARYL-1,2-DIAMINOCYCLOBUTENE-3,4-DIONES WITH SMOOTH MUSCLE RELAXING ACTIVITIES AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-17 WO disclosed
US-5506252-A MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-09 US disclosed
US-5466712-A Smooth muscle relaxants AMERICAN HOME PRODUCTS CORPORATION (US) 1995-11-14 US disclosed
WO-1995015954-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-15 WO disclosed
WO-1995014005-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-26 WO 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 (1 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-20230165867-A1 IMIDAZOLIDINONE DERIVATIVES AND MEDICAL USE THEREOF SYMPK, PAICS, CYP2C9 ALDH1A1 702/4885POLB 1974/4885MAPT 2312/4885

“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.