SCHEMBL5361783

SCHEMBL5361783

C(=Cc1ccc(Nc2cccc3ccccc23)cc1)c1ccc(Nc2cccc3ccccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ TP53 P04637 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ HPGD P15428 1/20 0.69
▸ ALOX15 P16050 1/20 0.69
▸ TSHR P16473 1/20 0.69
▸ CDC25B P30305 1/20 0.69
▸ ATM Q13315 1/20 0.69
▸ RAB9A P51151 1/20 0.60
▸ KDM4E B2RXH2 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ FADS1 O60427 1/20 0.53
▸ HDAC1 Q13547 1/20 0.50

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
SCHEMBL15138719 0.90 ALDH1A1 (0.61) HSD17B10ALDH1A1TP53CYP3A4HPGD
SCHEMBL651572 0.88 HSD17B10 (0.87) HSD17B10ALDH1A1TP53CYP3A4HPGD
SCHEMBL29619354 0.88 HSD17B10 (0.87) HSD17B10ALDH1A1TP53CYP3A4HPGD
SCHEMBL6733723 0.86 HSD17B10 (0.65) HSD17B10ALDH1A1TP53CYP3A4HPGD
SCHEMBL74528 0.82 HSD17B10 (0.77) HSD17B10ALDH1A1TP53CYP3A4HPGD
SCHEMBL29609502 0.82 ALDH1A1 (0.92) HSD17B10ALDH1A1TP53CYP3A4HPGD
SCHEMBL4797443 0.82 ALDH1A1 (0.92) HSD17B10ALDH1A1TP53CYP3A4HPGD
SCHEMBL29521400 0.82 HSD17B10 (0.77) HSD17B10ALDH1A1TP53CYP3A4HPGD
SCHEMBL29350230 0.82 ALDH1A1 (1.00) HSD17B10ALDH1A1TP53CYP3A4HPGD
SCHEMBL19796 0.82 ALDH1A1 (1.00) HSD17B10ALDH1A1TP53CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249866-A1 METHOD FOR PRODUCING AROMATIC AMINO COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2007-10-25 — — US disclosed
US-20070249861-A1 METHOD FOR PRODUCING AROMATIC AMINO COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2007-10-25 — — US disclosed
US-7250532-B2 Method for producing aromatic amino compound IDEMITSU KOSAN CO., LTD. (JP) 2007-07-31 — — US disclosed
US-20060030736-A1 Method for producing aromatic amino compound IDEMITSU KOSAN CO., LTD. (JP) 2006-02-09 — — US disclosed
US-20040082813-A1 Method for producting aromatic amino compound IDEMITSU KOSAN CO., LTD. (JP) 2004-04-29 — — 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-20070249861-A1 METHOD FOR PRODUCING AROMATIC AMINO COMPOUND SLC7A1, SLC43A1, AHR HSD17B10 2282/4885ALDH1A1 455/4885TP53 2510/4885
US-20060030736-A1 Method for producing aromatic amino compound SLC7A1, SLC43A1, AHR HSD17B10 2243/4885ALDH1A1 447/4885TP53 2438/4885
US-20040082813-A1 Method for producting aromatic amino compound ADRM1, SLC7A1, AHR HSD17B10 2382/4885ALDH1A1 594/4885TP53 3490/4885
US-20070249866-A1 METHOD FOR PRODUCING AROMATIC AMINO COMPOUND SLC7A1, SLC43A1, AHR HSD17B10 2282/4885ALDH1A1 455/4885TP53 2510/4885

“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.

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