SCHEMBL3854826

SCHEMBL3854826

O=c1c2ccccc2[nH]c2ccc(Br)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
GAA P10253 3/20 0.67
LMNA P02545 3/20 0.67
KDM4E B2RXH2 2/20 0.67
GLA P06280 2/20 0.67
HTT P42858 2/20 0.67
HPGD P15428 2/20 0.67
ATM Q13315 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
MEN1 O00255 2/20 0.64
POLB P06746 2/20 0.64
KMT2A Q03164 2/20 0.64
NPC1 O15118 1/20 0.64
CASP6 P55212 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
ABCG2 Q9UNQ0 1/20 0.58
CTSV O60911 1/20 0.57
CTSL P07711 1/20 0.57
CCNB2 O95067 2/20 0.55
CCNE2 O96020 2/20 0.55

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
SCHEMBL30982031 1.00 ALDH1A1 (0.67) ALDH1A1GAALMNAKDM4EGLA
SCHEMBL14543828 0.90 HSD17B10 (0.59) ALDH1A1GAALMNAKDM4EGLA
SCHEMBL30933343 0.90 HSD17B10 (0.59) ALDH1A1GAALMNAKDM4EGLA
SCHEMBL9709050 0.89 GAA (0.67) ALDH1A1GAALMNAKDM4EGLA
SCHEMBL10171024 0.87 HSD17B10 (0.53) ALDH1A1GAALMNAKDM4EGLA
SCHEMBL4653063 0.86 HSD17B10 (0.56) ALDH1A1GAALMNAKDM4EGLA
SCHEMBL11468715 0.86 ALDH1A1 (0.53) ALDH1A1GAALMNAKDM4EGLA
SCHEMBL262450 0.84 AHR (0.64) ALDH1A1KDM4EHPGDATMMEN1
SCHEMBL30388549 0.84 AHR (0.64) ALDH1A1KDM4EHPGDATMMEN1
SCHEMBL18381874 0.82 AHR (0.61) ALDH1A1LMNAKDM4EHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024123663-A1 ANTIMICROBIAL COMPOUNDS SRI INTERNATIONAL (US) 2024-06-13 WO disclosed
CN-106699659-B A kind of N- phenylacridine ketone electroluminescent organic material and its preparation method and application 中节能万润股份有限公司 2018-12-18 CN disclosed
US-9899604-B2 Compound for organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-02-20 US disclosed
US-9899604-B2 Compound for organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-02-20 US disclosed
US-20140225083-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES INC. (KR) 2014-08-14 US disclosed
US-20140225083-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES INC. (KR) 2014-08-14 US disclosed
US-20140225083-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES INC. (KR) 2014-08-14 US disclosed
US-7598019-B2 Method for cleavage of labile functional groups from chemical compounds UNIVERSITAT KONSTANZ (DE) 2009-10-06 US disclosed
EP-1687275-A4 PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO INC (US) 2009-01-14 EP disclosed
US-20070099950-A1 Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain AGT SCIENCE LIMITED (GB) 2007-05-03 US disclosed
EP-0591583-B1 Benzo (f) quinolinones as 5-alpha-reductase inhibitors LILLY CO ELI (US) 2001-12-19 EP disclosed
EP-0532190-B1 Benzo(f)quinolinones as 5-alpha-reductase inhibitors LILLY CO ELI (US) 2000-12-27 EP disclosed
US-5710163-A STEROID 5A-REDUCTASE INHIBITORS ELI LILLY AND COMPANY (US) 1998-01-20 US disclosed
US-5670512-A SKIN DISORDERS; REDUCTASE INHIBITORS ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
US-5541190-A TREATING BENIGN PROSTATIC HYPERPLASIA, MALE PATTERN BALDNESS, PROSTATIC CANCER, ANDROGENIC ALOPECIA ELI LILLY AND COMPANY (US) 1996-07-30 US disclosed
US-5495021-A STEROID 5 ALPHA-REDUCTASE INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-27 US disclosed
US-5334767-A Steroid 5a-reductase inhibitor ELI LILLY AND COMPANY (US) 1994-08-02 US disclosed
EP-0591583-A1 Benzo (f) quinolinones as 5-alpha-reductase inhibitors ELI LILLY AND COMPANY (US) 1994-04-13 EP disclosed
US-5239075-A PROCESS FOR THE PREPARATION OF BENZO (F) QUINOLINONES ELI LILLY AND COMPANY (US) 1993-08-24 US disclosed
EP-0532190-A2 Benzo f quinolinones as 5-alpha-reductase inhibitors ELI LILLY AND COMPANY (US) 1993-03-17 EP 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-20070099950-A1 Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain PER2, CNR2, OPRD1 ALDH1A1 2085/4885GAA 2422/4885LMNA 3042/4885

“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.