SCHEMBL12909208

SCHEMBL12909208

Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
POLB P06746 3/20 1.00
HPGD P15428 3/20 1.00
RAB9A P51151 3/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
HSP90AA1 P07900 1/20 0.72
ESR2 Q92731 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
ABL1 P00519 4/20 0.69
FABP6 P51161 1/20 0.69
HTT P42858 3/20 0.62
LMNA P02545 2/20 0.62
ABCC4 O15439 1/20 0.62
USP2 O75604 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
KDR P35968 1/20 0.62
HIF1A Q16665 1/20 0.62
ESR1 P03372 1/20 0.60
XIAP P98170 1/20 0.58

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
Carbamic Acid SCHEMBL29258949 0.96 ALDH1A1 (0.92) ALDH1A1POLBHPGDRAB9ASMN1; SMN2
SCHEMBL23900204 0.89 POLB (0.81) ALDH1A1POLBHPGDRAB9ASMN1; SMN2
SCHEMBL1108966 0.88 ALDH1A1 (0.78) ALDH1A1POLBHPGDRAB9ASMN1; SMN2
SCHEMBL25931738 0.87 POLB (0.76) ALDH1A1POLBHPGDRAB9ASMN1; SMN2
SCHEMBL23867566 0.87 POLB (0.76) ALDH1A1POLBHPGDRAB9ASMN1; SMN2
SCHEMBL12981224 0.86 ALDH1A1 (0.75) ALDH1A1POLBHPGDRAB9ASMN1; SMN2
SCHEMBL16927680 0.84 ALDH1A1 (0.72) ALDH1A1POLBHPGDRAB9ASMN1; SMN2
SCHEMBL1758956 0.84 TDP1 (1.00) ALDH1A1POLBHPGDRAB9ASMN1; SMN2
SCHEMBL29924530 0.84 TDP1 (1.00) ALDH1A1POLBHPGDRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7331913 0.83 TDP1 (0.97) ALDH1A1POLBHPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018178-A1 NOVEL BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE THEREOF AS ANTI-CANCER AGENT OR ANTI-VIRUS AGENT COMPRISING THE SAME BIOMETRIX TECHNOLOGY INC (KR) 2024-01-18 US disclosed
US-20230248702-A1 MICELLE COMPRISING BENZIMIDAZOLE-CARBOHYDRATE CONJUGATE COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF AS ANTICANCER AGENT OR ANTIVIRAL AGENT COMPRISING THE SAME BIOMETRIX TECHNOLOGY INC. (KP) 2023-08-10 US disclosed
US-20230248702-A1 MICELLE COMPRISING BENZIMIDAZOLE-CARBOHYDRATE CONJUGATE COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF AS ANTICANCER AGENT OR ANTIVIRAL AGENT COMPRISING THE SAME BIOMETRIX TECHNOLOGY INC. (KP) 2023-08-10 US disclosed
US-11667661-B2 Benzimidazole derivatives, preparation method thereof and use thereof as anti-cancer agent comprising the same BIOMETRIX TECHNOLOGY INC (KR) 2023-06-06 US disclosed
US-20210395289-A1 NOVEL BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE THEREOF AS ANTI-CANCER AGENT OR ANTI-VIRUS AGENT COMPRISING THE SAME BIOMETRIX TECHNOLOGY INC (KR) 2021-12-23 US disclosed
EP-3907230-A1 NOVEL BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE THEREOF AS ANTI-CANCER AGENT COMPRISING THE SAME Biometrix Technology Inc. (KR) 2021-11-10 EP disclosed
WO-2021201352-A1 NOVEL BENZIMIDAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF AS ANTICANCER AGENT (주)바이오메트릭스 테크놀로지 2021-10-07 WO disclosed
US-20210300959-A1 NOVEL BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE THEREOF AS ANTI-CANCER AGENT COMPRISING THE SAME BIOMETRIX TECHNOLOGY INC (KR) 2021-09-30 US disclosed
US-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION 2016-04-28 US disclosed
US-8338594-B2 Pyrrolotriazine derivatives useful for treating cancer through inhibition of aurora kinase BAYER HEALTHCARE LLC (US) 2012-12-25 US disclosed
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2011-01-27 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 (7 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-20210395289-A1 NOVEL BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE THEREOF AS ANTI-CANCER AGENT OR ANTI-VIRUS AGENT COMPRISING THE SAME ZC3HAV1, DDX41, ZC3HAV1L ALDH1A1 480/4885POLB 636/4885HPGD 3935/4885
US-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO LPO, NOTUM, FARS2 ALDH1A1 1503/4885POLB 1245/4885HPGD 588/4885
US-20210300959-A1 NOVEL BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE THEREOF AS ANTI-CANCER AGENT COMPRISING THE SAME H1-3, H1-4, H1-5 ALDH1A1 136/4885POLB 3975/4885HPGD 4529/4885
US-20230248702-A1 MICELLE COMPRISING BENZIMIDAZOLE-CARBOHYDRATE CONJUGATE COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF AS ANTICANCER AGENT OR ANTIVIRAL AGENT COMPRISING THE SAME RB1, CCNI, CA14 ALDH1A1 1676/4885POLB 2931/4885HPGD 4596/4885
US-20240018178-A1 NOVEL BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE THEREOF AS ANTI-CANCER AGENT OR ANTI-VIRUS AGENT COMPRISING THE SAME ZC3HAV1, DDX41, ZC3HAV1L ALDH1A1 480/4885POLB 636/4885HPGD 3935/4885
US-11667661-B2 Benzimidazole derivatives, preparation method thereof and use thereof as anti-cancer agent comprising the same H1-3, H1-4, H1-5 ALDH1A1 142/4885POLB 4119/4885HPGD 4431/4885
US-20110021518-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE AURKC, AURKA, PLK1 ALDH1A1 3546/4885POLB 697/4885HPGD 1776/4885

“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.