SCHEMBL996941

SCHEMBL996941

NNC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.77
CYP3A4 P08684 2/20 0.77
CYP2C9 P11712 2/20 0.77
TSHR P16473 2/20 0.77
CYP2D6 P10635 1/20 0.77
PMP22 Q01453 1/20 0.77
HIF1A Q16665 1/20 0.77
NPSR1 Q6W5P4 1/20 0.77
PTGER4 P35408 4/20 0.52
SLC9A1 P19634 1/20 0.48
LMNA P02545 4/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
ALOX12 P18054 1/20 0.46
TP53 P04637 2/20 0.44
JAK2 O60674 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL29382834 1.00 CYP1A2 (0.77) CYP1A2CYP3A4CYP2C9TSHRCYP2D6
SCHEMBL1045876 0.91 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C9TSHRCYP2D6
SCHEMBL1050633 0.91 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C9TSHRCYP2D6
SCHEMBL24486720 0.90 CYP1A2 (0.75) CYP1A2CYP3A4CYP2C9TSHRCYP2D6
SCHEMBL23055435 0.90 CYP1A2 (0.75) CYP1A2CYP3A4CYP2C9TSHRCYP2D6
SCHEMBL28662562 0.89 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C9TSHRCYP2D6
SCHEMBL14584132 0.88 CYP1A2 (0.80) CYP1A2CYP3A4CYP2C9TSHRCYP2D6
SCHEMBL12787804 0.88 CYP1A2 (0.72) CYP1A2CYP3A4CYP2C9TSHRCYP2D6
SCHEMBL14595147 0.88 CYP1A2 (0.72) CYP1A2CYP3A4CYP2C9TSHRCYP2D6
SCHEMBL21121979 0.87 CYP1A2 (0.82) CYP1A2CYP3A4CYP2C9TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110981918-B Modified platinum compound and preparation method and application thereof 华中科技大学 2020-10-16 CN claimed
CN-110981918-A Modified platinum compound and preparation method and application thereof 华中科技大学 2020-04-10 CN claimed
CN-104356183-B Compound having anti-tumor effect as well as preparation method and application thereof 华中科技大学 2017-04-26 CN claimed
CN-104356183-A Compound having anti-tumor effect as well as preparation method and application thereof UNIV HUAZHONG SCIENCE TECH 2015-02-18 CN claimed
CN-110981918-B Modified platinum compound and preparation method and application thereof 华中科技大学 2020-10-16 CN disclosed
CN-110981918-B Modified platinum compound and preparation method and application thereof 华中科技大学 2020-10-16 CN disclosed
CN-110981918-A Modified platinum compound and preparation method and application thereof 华中科技大学 2020-04-10 CN disclosed
CN-110981918-A Modified platinum compound and preparation method and application thereof 华中科技大学 2020-04-10 CN disclosed
CN-104356183-B Compound having anti-tumor effect as well as preparation method and application thereof 华中科技大学 2017-04-26 CN disclosed
EP-2118048-B1 MALE CONTRACEPTIVE AMOBI NNAEMEKA IKECHUKWU (GB) 2016-11-23 EP disclosed
CN-104356183-A Compound having anti-tumor effect as well as preparation method and application thereof UNIV HUAZHONG SCIENCE TECH 2015-02-18 CN disclosed
US-8927579-B2 Male contraceptive Amobi, Nnaemkea Ikechukwu (GB) 2015-01-06 US disclosed
US-20050272796-A1 Prevention and treatment of benign prostatic hyperplasia using lonidamine and lonidamine analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2005-12-08 US disclosed
US-20050272795-A1 Prevention and treatment of benign prostatic hyperplasia THRESHOLD PHARMACEUTICALS, INC. (US) 2005-12-08 US disclosed
US-20050271723-A1 Dosage forms for treatment of benign prostatic hyperplasia THRESHOLD PHARMACEUTICALS, INC. (US) 2005-12-08 US disclosed
EP-1592430-A2 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA USING ENERGOLYTIC AGENTS Threshold Pharmaceuticals, Inc. (US) 2005-11-09 EP disclosed
US-20040167196-A1 Treatment of benign prostatic hyperplasia THRESHOLD PHARMACEUTICALS, INC. 2004-08-26 US disclosed
WO-2004064735-A2 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA THRESHOLD PHARMACEUTICALS, INC. (US) 2004-08-05 WO disclosed
WO-2004064736-A2 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA USING ENERGOLYTIC AGENTS THRESHOLD PHARMACEUTICALS, INC. (US) 2004-08-05 WO disclosed
US-6001865-A 3-SUBSTITUTED 1-BENZYL-1H-INDAZOLE DERIVATIVES ANTIFERTILITY AGENT USED TO REDUCE THE POPULATION OF MICE, RATS AND PIGEIONS ANGELINI PHARMACEUTICALS INC. (US) 1999-12-14 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-20050272795-A1 Prevention and treatment of benign prostatic hyperplasia BPHL, LPXN, QDPR CYP1A2 1175/4885CYP3A4 1278/4885CYP2C9 1747/4885
US-20050272796-A1 Prevention and treatment of benign prostatic hyperplasia using lonidamine and lonidamine analogs BPHL, LONP1, LPXN CYP1A2 1603/4885CYP3A4 1234/4885CYP2C9 1743/4885
US-20040167196-A1 Treatment of benign prostatic hyperplasia BPHL, LPXN, QDPR CYP1A2 1378/4885CYP3A4 1243/4885CYP2C9 2133/4885
US-20050271723-A1 Dosage forms for treatment of benign prostatic hyperplasia BPHL, LPXN, LONP1 CYP1A2 485/4885CYP3A4 490/4885CYP2C9 705/4885

“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.