SCHEMBL9626433

SCHEMBL9626433

Nc1ccc(N)c2c1ccc1c3ccccc3ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 4/20 0.59
▸ ALDH1A1 P00352 5/20 0.52
▸ HSD17B10 Q99714 5/20 0.52
▸ HPGD P15428 4/20 0.52
▸ TSHR P16473 3/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ KEAP1 Q14145 2/20 0.52
▸ CYP2A6 P11509 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ CYP1A2 P05177 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.45
▸ ERBB2 P04626 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ AHR P35869 1/20 0.44
▸ PAX8 Q06710 1/20 0.43

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
SCHEMBL16107531 0.91 HSD17B10 (0.56) HPRT1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL16194308 0.83 ALDH1A1 (0.60) HPRT1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL27712301 0.83 ALDH1A1 (0.60) HPRT1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL20735485 0.82 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL14743031 0.81 HPRT1 (0.51) HPRT1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL6421361 0.80 ALDH1A1 (0.73) HPRT1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL177977 0.80 ALDH1A1 (0.73) HPRT1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL30074479 0.80 ALDH1A1 (0.73) HPRT1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL278672 0.80 ALDH1A1 (0.73) HPRT1ALDH1A1HSD17B10HPGDTSHR
SCHEMBL29692971 0.80 ALDH1A1 (0.73) HPRT1ALDH1A1HSD17B10HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186210-B1 Ion sensor TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1992-04-22 — — EP claimed
EP-0186210-A2 Ion sensor TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1986-07-02 — — EP claimed
US-9005777-B2 Heterocyclic compound, organic light-emitting diode including the heterocyclic compound, and flat display device including the organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-14 — — US disclosed
US-20130099206-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE HETEROCYCLIC COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-04-25 — — US disclosed
US-5133856-A Ion sensor TERUMO KABUSHIKI KAISHA (JP) 1992-07-28 — — US disclosed
EP-0186210-B1 Ion sensor TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1992-04-22 — — EP disclosed
EP-0186210-A2 Ion sensor TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1986-07-02 — — 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-20130099206-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE HETEROCYCLIC COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE DRD1, HTR1D, DRD4 HPRT1 349/4885ALDH1A1 43/4885HSD17B10 867/4885

“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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